2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C23H22N4O2S — CID 58279142

IUPAC2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNCC1)C2
InChIInChI=1S/C23H22N4O2S/c28-22(27-23-25-12-13-30-23)18-6-3-4-15-14-19(26-21(15)18)17-5-1-2-7-20(17)29-16-8-10-24-11-9-16/h1-7,12-13,16,24H,8-11,14H2,(H,25,27,28)
InChIKeyOEYXICGTXMCTNM-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.20
Rot. Bonds5

About 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58279142) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58279142
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNCC1)C2
InChIInChI=1S/C23H22N4O2S/c28-22(27-23-25-12-13-30-23)18-6-3-4-15-14-19(26-21(15)18)17-5-1-2-7-20(17)29-16-8-10-24-11-9-16/h1-7,12-13,16,24H,8-11,14H2,(H,25,27,28)
InChIKeyOEYXICGTXMCTNM-UHFFFAOYSA-N
XLogP4.20
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58279142) is 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNCC1)C2.
What is the InChIKey of 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is OEYXICGTXMCTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-22(27-23-25-12-13-30-23)18-6-3-4-15-14-19(26-21(15)18)17-5-1-2-7-20(17)29-16-8-10-24-11-9-16/h1-7,12-13,16,24H,8-11,14H2,(H,25,27,28).
What are the key properties of 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58279142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).